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Mal-PFP ester

CAT: 0804-HY-138467-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-138467-02Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Mal-PFP ester is an alkyl/ether-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
138194-55-5
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
PROTAC Linkers
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/mal-pfp-ester.html
Purity
98.22
Solubility
10 mM in DMSO
Smiles
FC1=C(F)C(F)=C(F)C(F)=C1OC(CCN2C(C=CC2=O)=O)=O
Molecular Formula
C13H6F5NO4
Molecular Weight
335.18
Precautions
H302, H315, H319, H335
References & Citations
[1]An S, et al. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Alkyl/ether Linkers

Chemical Information

Mal-PFP ester
CAS Number138194-55-5
PubChem CID88897221
IUPAC Name(2,3,4,5,6-pentafluorophenyl) 3-(2,5-dioxopyrrol-1-yl)propanoate
Molecular FormulaC13H6F5NO4
Molecular Weight335.18
XLogP1.4
Topological Polar Surface Area63.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity508
SMILES
C1=CC(=O)N(C1=O)CCC(=O)OC2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C13H6F5NO4/c14-8-9(15)11(17)13(12(18)10(8)16)23-7(22)3-4-19-5(20)1-2-6(19)21/h1-2H,3-4H2
InChIKey
CPVAMZASRXMNDX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mal-PFP ester
CAS: 138194-55-5
CID: 88897221
Formula: C13H6F5NO4
MW: 335.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight335.18
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass335.02169848
Monoisotopic Mass335.02169848
Topological Polar Surface Area63.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity508
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T38798Mal-PFP ester
T15993Mal-PEG4-PFP ester
MBS5769473Mal-PEG5-PFP ester
T15983-01Mal-PEG2-PFP ester
T15988-01Mal-PEG3-PFP ester
T16002Mal-PEG6-PFP ester
T15977-01Mal-PEG1-PFP ester
T39534-01Mal-amido-PEG3-C1-PFP ester
GTR19273535-01Mal-L-Dap (Boc, t-BuOAc) -Pfp Ester
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